3-[3-(dimethylcarbamoyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate

Systemtic Name: 3-[3-(dimethylcarbamoyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate Openeye Name: 3-[3-(dimethylcarbamoyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-[dimethylamino(oxo)methyl]-4-[(2-nitrophenyl)thio]phenoxy]propyl ester IUPAC Name: 3-[3-(dimethylcarbamoyl)-4-(2-nitrophenyl)sulfanylphenoxy]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-(dimethylcarbamoyl)-4-[(2-nitrophenyl)thio]phenoxy]propyl ester Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O7S2/c1-20(2)19(22)15-13-14(27-11-6-12-28-30(3,25)26)9-10-17(15)29-18-8-5-4-7-16(18)21(23)24/h4-5,7-10,13H,6,11-12H2,1-3H3